1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine

C24H48N2O4S2 — CID 170610803

IUPAC1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine
SMILESCCC1CCN(S(=O)(=O)C2CCCCC2)CC1.CCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H25NO2S.C11H23NO2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13;1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h12-13H,2-11H2,1H3;10-11H,4-9H2,1-3H3
InChIKeyPCKCEWMSQZHTCM-UHFFFAOYSA-N
MW492.79 g/mol
LogP4.87
Rot. Bonds7

About 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine

1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine (PubChem CID 170610803) has the molecular formula C24H48N2O4S2 and a molecular weight of 492.79 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine
PubChem CID170610803
Molecular FormulaC24H48N2O4S2
Molecular Weight492.79 g/mol
Exact Mass492.31
IUPAC Name1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine
SMILESCCC1CCN(S(=O)(=O)C2CCCCC2)CC1.CCCS(=O)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H25NO2S.C11H23NO2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13;1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h12-13H,2-11H2,1H3;10-11H,4-9H2,1-3H3
InChIKeyPCKCEWMSQZHTCM-UHFFFAOYSA-N
XLogP4.87
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.79
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
CID 105360397
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
CID 61421410
1-[1-(cyclohexylmethylsulfonyl)pyrrolidin-3-yl]ethanamine
CID 103976134

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine?
The IUPAC name of 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine (CID 170610803) is 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine?
The canonical SMILES for 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine is CCC1CCN(S(=O)(=O)C2CCCCC2)CC1.CCCS(=O)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine?
The InChIKey is PCKCEWMSQZHTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S.C11H23NO2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13;1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3/h12-13H,2-11H2,1H3;10-11H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine?
1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine has a molecular weight of 492.79 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine is sourced from PubChem (CID 170610803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).